calcium;benzene;hydride;phosphoric acid

C18H23CaO4P — CID 175005708

IUPACcalcium;benzene;hydride;phosphoric acid
SMILESO=P(O)(O)O.[Ca+2].[H-].[H-].c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C6H6.Ca.H3O4P.2H/c3*1-2-4-6-5-3-1;;1-5(2,3)4;;/h3*1-6H;;(H3,1,2,3,4);;/q;;;+2;;2*-1
InChIKeyIDSJPICEVKSKKG-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.98
Rot. Bonds

About calcium;benzene;hydride;phosphoric acid

calcium;benzene;hydride;phosphoric acid (PubChem CID 175005708) has the molecular formula C18H23CaO4P and a molecular weight of 374.43 g/mol. Its IUPAC name is calcium;benzene;hydride;phosphoric acid.

Molecular Properties

Compound Namecalcium;benzene;hydride;phosphoric acid
PubChem CID175005708
Molecular FormulaC18H23CaO4P
Molecular Weight374.43 g/mol
Exact Mass374.10
IUPAC Namecalcium;benzene;hydride;phosphoric acid
SMILESO=P(O)(O)O.[Ca+2].[H-].[H-].c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C6H6.Ca.H3O4P.2H/c3*1-2-4-6-5-3-1;;1-5(2,3)4;;/h3*1-6H;;(H3,1,2,3,4);;/q;;;+2;;2*-1
InChIKeyIDSJPICEVKSKKG-UHFFFAOYSA-N
XLogP3.98
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of calcium;benzene;hydride;phosphoric acid?
The IUPAC name of calcium;benzene;hydride;phosphoric acid (CID 175005708) is calcium;benzene;hydride;phosphoric acid.
What is the SMILES notation for calcium;benzene;hydride;phosphoric acid?
The canonical SMILES for calcium;benzene;hydride;phosphoric acid is O=P(O)(O)O.[Ca+2].[H-].[H-].c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of calcium;benzene;hydride;phosphoric acid?
The InChIKey is IDSJPICEVKSKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H6.Ca.H3O4P.2H/c3*1-2-4-6-5-3-1;;1-5(2,3)4;;/h3*1-6H;;(H3,1,2,3,4);;/q;;;+2;;2*-1.
What are the key properties of calcium;benzene;hydride;phosphoric acid?
calcium;benzene;hydride;phosphoric acid has a molecular weight of 374.43 g/mol, XLogP of 3.98, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;benzene;hydride;phosphoric acid is sourced from PubChem (CID 175005708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).